Crystallography Open Database

Information card for entry 2101500

Preview

Coordinates	2101500.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H16 N Na O10
Calculated formula	C4 H16 N Na O10
SMILES	[Na+].[O]=C([C@@H]([C@H](C(=O)[O-])O)O)[O-].O.O.O.[NH4+].O
Title of publication	Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions
Authors of publication	Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.
Journal of publication	Acta Crystallographica Section B
Year of publication	1996
Journal volume	52
Journal issue	2
Pages of publication	296 - 302
a	12.206 ± 0.007 Å
b	14.451 ± 0.006 Å
c	6.25 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1102.4 ± 1.1 Å³
Cell temperature	294 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for significantly intense reflections	1.2116
Diffraction radiation wavelength	0.70926 Å
Diffraction radiation type	MoKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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